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DocumentationIdentifier: MM130164
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM130164 |
| SMILES |
C=C(CC(C)(F)F)OC
|
| InChIKey |
AKNSCSAOCSXKER-UHFFFAOYSA-N
|
| MW [Da] |
136.14
Automatically obtained from RDkit software. |
| LogP |
2.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.8279 |
|---|---|
| Cosine metric | 0.9099 |
| Dice metric | 0.9058 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 2.58 |
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| Tanimoto metric | 0.7594 |
|---|---|
| Cosine metric | 0.8714 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | 2.36 |
||||
|---|---|---|---|---|---|
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